N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C28H25N3OS/c1-16-8-11-21-23(15-29)28(33-26(21)12-16)31-27(32)22-14-25(19-10-9-17(2)18(3)13-19)30-24-7-5-4-6-20(22)24/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,31,32)/t16-/m1/s1